6-[2,3,4,5,6-pentakis(6-oxidanidyl-6-oxidanylidene-hexyl)phenyl]hexanoate

Systemtic Name: 6-[2,3,4,5,6-pentakis(6-oxidanidyl-6-oxidanylidene-hexyl)phenyl]hexanoate Openeye Name: 6-[2,3,4,5,6-pentakis(6-oxido-6-oxo-hexyl)phenyl]hexanoate CAS Name: 6-[2,3,4,5,6-pentakis(6-oxido-6-oxohexyl)phenyl]hexanoate IUPAC Name: 6-[2,3,4,5,6-pentakis(6-oxido-6-oxohexyl)phenyl]hexanoate Traditional Name: 6-[2,3,4,5,6-pentakis(6-keto-6-oxido-hexyl)phenyl]hexanoate Formula: C42H60O12-6 MolecularWeight: 756.9186

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC1=C(C(=C(C(=C1CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C(CCC1=C(C(=C(C(=C1CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCCCCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C42H66O12/c43-37(44)25-13-1-7-19-31-32(20-8-2-14-26-38(45)46)34(22-10-4-16-28-40(49)50)36(24-12-6-18-30-42(53)54)35(23-11-5-17-29-41(51)52)33(31)21-9-3-15-27-39(47)48/h1-30H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/p-6